Crystallography Open Database

Information card for entry 4325117

Preview

Coordinates	4325117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H90 Cl Co Hf I0.02 N4.97 O1.5 P3
Calculated formula	C51 H90 Cl Co Hf I0.0153 N4.9694 O1.5 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	27.9112 ± 0.0011 Å
b	15.4306 ± 0.0006 Å
c	26.3171 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	11334.4 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for all reflections	0.0661
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.0005
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.	4325117.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325117.cif
43569	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325117 via cif-deposit CGI script.	4325117.cif