Crystallography Open Database

Information card for entry 4341253

Preview

Coordinates	4341253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H69 Fe N3 P6
Calculated formula	C79 H69 Fe N3 P6
Title of publication	Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.
Authors of publication	Frank, Nicolas; Hanau, Katharina; Langer, Robert
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	20
Pages of publication	11335 - 11343
a	13.137 ± 0.003 Å
b	22.186 ± 0.004 Å
c	24.594 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7168 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341253.cif
126908	2014-11-12	cif/ Updating files of 4341251, 4341252, 4341253 Original log message: Adding full bibliography for 4341251--4341253.cif.	4341253.cif
125094	2014-10-08	cif/ Adding structures of 4341253 via cif-deposit CGI script.	4341253.cif