Crystallography Open Database

Information card for entry 7202501

7202500 << 7202501 >> 7202502

Preview

Coordinates	7202501.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate
Formula	C20 H30 Cr2 F6 P5 Sb
Calculated formula	C20 H30 Cr2 F6 P5 Sb
SMILES	[Sb](F)(F)(F)(F)(F)[F-].[c]12([c]3([c]4([c]5([c]1(C)[Cr]16782345[P]23[P]48[P]57[P]76[P]12[Cr]12683457[c]3([c]1([c]2([c]6([c]83C)C)C)C)C)C)C)C)C
Title of publication	Structural?magnetic correlations on the first dinuclear spin crossover d4 system
Authors of publication	Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	5
Pages of publication	485
a	22.797 ± 0.014 Å
b	21.216 ± 0.012 Å
c	22.754 ± 0.013 Å
α	90°
β	100.51 ± 0.03°
γ	90°
Cell volume	10821 ± 11 Å³
Cell temperature	12 ± 1 K
Ambient diffraction temperature	12 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
180356 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/25.	7202501.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"	7202501.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202501.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202501.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202501.cif