Crystallography Open Database

Information card for entry 4071706

Preview

Coordinates	4071706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 Fe2 N4 O2.5 P4 W
Calculated formula	C46 H56 Fe2 N4 P4 W
Title of publication	Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis
Authors of publication	Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3947
a	16.7672 ± 0.0009 Å
b	13.9265 ± 0.0006 Å
c	21.5321 ± 0.001 Å
α	90°
β	116.426 ± 0.0009°
γ	90°
Cell volume	4502.6 ± 0.4 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71069 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.	4071706.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071706.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071706.cif
43989	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071706, 4071707, 4071708, 4071709, 4071710, 4071711 via cif-deposit CGI script.	4071706.cif