Crystallography Open Database

Information card for entry 4071711

Preview

Coordinates	4071711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H73 F6 Fe2 Mo N2 O7 P4 S2
Calculated formula	C45 H66 F6 Fe2 Mo N2 O7 P4 S2
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	10.8177 ± 0.0005 Å
b	11.2497 ± 0.0005 Å
c	23.4127 ± 0.0009 Å
α	77.5875 ± 0.0014°
β	78.6013 ± 0.0015°
γ	84.5651 ± 0.0016°
Cell volume	2723.7 ± 0.2 Å³
Cell temperature	173.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71075 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.	4071711.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071711.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071711.cif
43989	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071706, 4071707, 4071708, 4071709, 4071710, 4071711 via cif-deposit CGI script.	4071711.cif