Crystallography Open Database

Information card for entry 4101641

Preview

Coordinates	4101641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Co N5 P3 Zr
Calculated formula	C27 H63 Co N5 P3 Zr
Title of publication	Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.
Authors of publication	Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	44 - 45
a	18.2757 ± 0.0006 Å
b	18.2757 ± 0.0006 Å
c	18.1771 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5257.8 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	158
Hermann-Mauguin space group symbol	P 3 c 1
Hall space group symbol	P 3 -2"c
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for all reflections	0.0915
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101641.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101641.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101641.cif
21865	2011-06-29	../uploads/cif-deposit/cod/cif Adding structures of 4101640, 4101641, 4101642 via cif-deposit CGI script.	4101641.cif