Crystallography Open Database

Information card for entry 1515475

Preview

Coordinates	1515475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Hf P
Calculated formula	C22 H28 Hf P
SMILES	[Hf]12345678(=Pc9ccccc9)([c]9([c]1([c]4([c]6([c]59C)C)C)C)C)([cH]1[cH]8[cH]2[cH]7[cH]31)C
Title of publication	Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange
Authors of publication	Waterman, Rory; Tilley, T. Don
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	7
Pages of publication	1320
a	8.4351 ± 0.0009 Å
b	28.233 ± 0.003 Å
c	8.7547 ± 0.0009 Å
α	90°
β	107.59 ± 0.002°
γ	90°
Cell volume	1987.4 ± 0.4 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515475.cif
111825	2014-04-28	cif/ Adding structures of 1515475, 1515476 via cif-deposit CGI script.	1515475.cif