Crystallography Open Database

Information card for entry 4071707

Preview

Coordinates	4071707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Fe2 N4 P4 W
Calculated formula	C36 H56 Fe2 N4 P4 W
SMILES	[W]12([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([P]1(CC)CC)[cH]8[cH]9[cH]%10[cH]%113)(CC)CC)([P]([c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[c]1([cH]%10[cH]9[cH]8[cH]71)[P]2(CC)CC)(CC)CC)([N]#N)[N]#N
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	10.3251 ± 0.0005 Å
b	12.9548 ± 0.0007 Å
c	16.0045 ± 0.0008 Å
α	68.5308 ± 0.0015°
β	75.0976 ± 0.0015°
γ	75.3906 ± 0.0016°
Cell volume	1895.23 ± 0.17 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4071707.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071707.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071707.cif
43989	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071706, 4071707, 4071708, 4071709, 4071710, 4071711 via cif-deposit CGI script.	4071707.cif