Crystallography Open Database

Information card for entry 4320976

4320975 << 4320976 >> 4320977

Preview

Coordinates	4320976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H42 Er2 N12 O21 Pt3
Calculated formula	C12 Er2 N12 O21 Pt3
Title of publication	Crystal Structure and Optical Spectroscopy of Er~2~[Pt(CN)~4~]~3~.21H~2~O and Er~2~[Pt(CN)~4~]~2~.SO~4~.11.5H~2~O
Authors of publication	Andreas Loosli; Markus Wermuth; Hans-Ueli Güdel; Silvia Capelli; Jürg Hauser; Hans-Beat Bürgi
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2289 - 2293
a	15.4848 ± 0.0003 Å
b	13.8186 ± 0.0002 Å
c	19.0782 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4082.32 ± 0.1 Å³
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320976.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.	4320976.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320976.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320976.cif
18300	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320976 via cif-deposit CGI script.	4320976.cif