Crystallography Open Database

Information card for entry 4334495

Preview

Coordinates	4334495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Co2 F18 N8 O4 P3
Calculated formula	C46 H50 Co2 F18 N8 O8 P3
Title of publication	Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound Finely Tuned by Ancillary Ligand
Authors of publication	Bao Li; Li-Qin Chen; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4136 - 4138
a	9.0943 ± 0.001 Å
b	11.5545 ± 0.0008 Å
c	15.2727 ± 0.0012 Å
α	75.33°
β	76.517 ± 0.005°
γ	84.67°
Cell volume	1508.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334495.cif
100322	2014-02-04	cif/ Adding structures of 4334495 via cif-deposit CGI script.	4334495.cif