Crystallography Open Database

Information card for entry 4331871

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Structure parameters

Formula	C28 H26 Cl2.5 N2.5 O0.5 Os0.5 P
Calculated formula	C28 H26 Cl2.5 N2.5 O0.5 Os0.5 P
Title of publication	The Metal−NO Interaction in the Redox Systems [Cl5Os(NO)]n-,n= 1−3, andcis-[(bpy)2ClOs(NO)]2+/+: Calculations, Structural, Electrochemical, and Spectroscopic Results
Authors of publication	Singh, Priti; Sarkar, Biprajit; Sieger, Monika; Niemeyer, Mark; Fiedler, Jan; Záliš, Stanislav; Kaim, Wolfgang
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	12
Pages of publication	4602 - 4609
a	9.5056 ± 0.0001 Å
b	19.4011 ± 0.0002 Å
c	14.8581 ± 0.0002 Å
α	90°
β	98.262 ± 0.006°
γ	90°
Cell volume	2711.68 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.581
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4331871.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331871.cif
97946	2014-01-29	cif/ Adding structures of 4331871 via cif-deposit CGI script.	4331871.cif