Crystallography Open Database

Information card for entry 4104778

Preview

Coordinates	4104778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H114 B2 Fe2 N2 P6
Calculated formula	C105 H114.001 B2 Fe2 N2.001 P6
Title of publication	Characterization of Structurally Unusual Diiron NxHy Complexes
Authors of publication	Caroline T. Saouma; Peter Müller; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10358 - 10359
a	16.4689 ± 0.0004 Å
b	14.2851 ± 0.0003 Å
c	37.7006 ± 0.0008 Å
α	90°
β	101.267 ± 0.001°
γ	90°
Cell volume	8698.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0642
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178793 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/47.	4104778.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104778.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104778.cif
29808	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104778 via cif-deposit CGI script.	4104778.cif