Crystallography Open Database

Information card for entry 7010975

Preview

Coordinates	7010975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 B2 N16 Zn
Calculated formula	C24 H24 B2 N16 Zn0.5
Title of publication	Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd
Authors of publication	Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	24
Pages of publication	3564 - 3571
a	12.1261 ± 0.0009 Å
b	12.2786 ± 0.0009 Å
c	9.8093 ± 0.0007 Å
α	95.25 ± 0.006°
β	103.163 ± 0.006°
γ	100.019 ± 0.006°
Cell volume	1387.31 ± 0.18 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0544
Goodness-of-fit parameter for significantly intense reflections	1.573
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288197 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9829. This change affected only the misspelt variants of data names for the ATOM_TYPE_SCAT loop.	7010975.cif
275301	2022-05-10	cif/7/01/09/ Changed the '_cell_formula_unit_z' data name to '_cell_formula_units_Z' in entries 7010970-7010975.	7010975.cif
275257	2022-05-09	cif/7/01/09/ Replaced the '?/fontfamily>' sequence with a backslash symbol ('\') in multiple data values in entries 7010970-7010975.	7010975.cif
275256	2022-05-09	cif/7/01/09/ Updated bibliographic information in entries 7010970-7010975.	7010975.cif
179813	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/09.	7010975.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7010975.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7010975.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010975.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010975.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010975.cif