Crystallography Open Database

Information card for entry 4303268

Preview

Coordinates	4303268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Mo2 N O4 P Re
Calculated formula	C30 H27 Mo2 N O4 P Re
SMILES	[Mo]123456([Mo]789%10([P]1(c1ccccc1)c1ccccc1)(O2)(=O)[cH]1[CH]7[cH]8[cH]9[cH]%101)(=N[Re]1278(C#[O])(C#[O])[c]9([cH]1[cH]2[cH]7[cH]89)C)[cH]1[cH]6[cH]5[cH]4[cH]31
Title of publication	Low-Temperature N-O Bond Cleavage in Nitrosyl Ligands Induced by the Unsaturated Dimolybdenum Anion [Mo2(η5-C5H5)2(μ-PPh2)(μ-CO)2]-
Authors of publication	M. Esther García; Daniel García-Vivó; Sonia Melón; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9282 - 9293
a	11.186 ± 0.004 Å
b	15.058 ± 0.005 Å
c	9.851 ± 0.003 Å
α	79.09 ± 0.03°
β	64.21 ± 0.02°
γ	72.91 ± 0.03°
Cell volume	1424.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179070 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/32.	4303268.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303268.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303268.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303268.cif