Crystallography Open Database

Information card for entry 4121166

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Structure parameters

Formula	C120 H108 Cu6 P6
Calculated formula	C120 H108 Cu6 P6
Title of publication	Electron Transfer from Hexameric Copper Hydrides
Authors of publication	Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17262 - 17265
a	19.318 ± 0.002 Å
b	25.327 ± 0.003 Å
c	20.917 ± 0.002 Å
α	90°
β	91.781 ± 0.002°
γ	90°
Cell volume	10229.1 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.202
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4121166.cif
179013	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/11.	4121166.cif
107343	2014-03-18	cif/ Adding structures of 4121166 via cif-deposit CGI script.	4121166.cif