Crystallography Open Database

Information card for entry 4121164

Preview

Coordinates	4121164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H132 Cu6 O18 P6
Calculated formula	C126 H132 Cu6 O18 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	21.5852 ± 0.0012 Å
b	20.8629 ± 0.0012 Å
c	26.8356 ± 0.0015 Å
α	90°
β	99.484 ± 0.001°
γ	90°
Cell volume	11919.7 ± 1.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2123
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179013 (current)	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.	4121164.cif
107341	2014-03-18	cif/ Adding structures of 4121164 via cif-deposit CGI script.	4121164.cif