Crystallography Open Database

Information card for entry 4071709

Preview

Coordinates	4071709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 F6 Fe2 N2 O6 P4 S2 W
Calculated formula	C38 H53 F6 Fe2 N2 O6 P4 S2 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	16.9906 ± 0.0005 Å
b	14.3654 ± 0.0003 Å
c	19.478 ± 0.0005 Å
α	90°
β	105.022 ± 0.0006°
γ	90°
Cell volume	4591.7 ± 0.2 Å³
Cell temperature	173.1 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4071709.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071709.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071709.cif
43989	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071706, 4071707, 4071708, 4071709, 4071710, 4071711 via cif-deposit CGI script.	4071709.cif