Crystallography Open Database

Information card for entry 4071708

Preview

Coordinates	4071708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Fe2 Mo N4 P4
Calculated formula	C36 H56 Fe2 Mo N4 P4
SMILES	[Mo]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[Fe]456789%10([cH]1[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	10.3341 ± 0.0003 Å
b	12.9756 ± 0.0004 Å
c	16.0505 ± 0.0004 Å
α	68.4688 ± 0.0018°
β	75.0902 ± 0.0017°
γ	75.3883 ± 0.0008°
Cell volume	1904.58 ± 0.1 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	0.0258
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4071708.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071708.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071708.cif
43989	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071706, 4071707, 4071708, 4071709, 4071710, 4071711 via cif-deposit CGI script.	4071708.cif