Crystallography Open Database

Information card for entry 4325114

Preview

Coordinates	4325114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Cl Co Hf I N3 P3
Calculated formula	C27 H63 Cl Co Hf I N3 P3
Title of publication	Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt
Authors of publication	Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4647 - 4655
a	15.1818 ± 0.0004 Å
b	18.1649 ± 0.0005 Å
c	13.5297 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3731.16 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for all reflections	0.0691
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0691
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.	4325114.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325114.cif
43566	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325114 via cif-deposit CGI script.	4325114.cif