Crystallography Open Database

Information card for entry 4329729

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Coordinates	4329729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Mo2 O3 P
Calculated formula	C30 H39 Mo2 O3 P
SMILES	[Mo]12345([P]6([Mo]789%10%11%12%13%14%15([cH]%16[cH]7[cH]8[cH]9[cH]%10%16)[c]76[c]%11([cH]%12[c]%13([cH]%14[c]%157C(C)(C)C)C(C)(C)C)C(C)(C)C)O1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands
Authors of publication	Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7810 - 7824
a	9.6372 ± 0.0019 Å
b	16.773 ± 0.003 Å
c	17.553 ± 0.003 Å
α	90°
β	93.209 ± 0.004°
γ	90°
Cell volume	2832.9 ± 0.9 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
179400 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/97.	4329729.cif
78966	2013-04-03	cif/ Adding structures of 4329729 via cif-deposit CGI script.	4329729.cif