Crystallography Open Database

Information card for entry 4325113

Preview

Coordinates	4325113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H75 Cl Co Hf I N3 P3
Calculated formula	C45 H75 Cl Co Hf I N3 P3
SMILES	C(C)(C)[P]1(C(C)C)[Co]23(I)[Hf](Cl)(N1c1c(cc(cc1C)C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C
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	12.0541 ± 0.0003 Å
b	12.0541 ± 0.0003 Å
c	19.7252 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2482.11 ± 0.12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.02
Weighted residual factors for all reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
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.	4325113.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325113.cif
43565	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325113 via cif-deposit CGI script.	4325113.cif