Crystallography Open Database

Information card for entry 4329732

Preview

Coordinates	4329732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 Cl2 Mo2 O3 P Se
Calculated formula	C32 H41 Cl2 Mo2 O3 P Se
SMILES	[Mo]12345([Se][P]61[C]17[Mo]89%10%11%12%136(C#[O])([cH]6[cH]%11[cH]%10[cH]9[cH]86)[C]=1([CH]%12=[C]%13(C=C7C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51.C(Cl)Cl
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	10.5406 ± 0.0001 Å
b	16.6907 ± 0.0002 Å
c	19.3623 ± 0.0002 Å
α	90°
β	100.242 ± 0.004°
γ	90°
Cell volume	3352.13 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0397
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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.	4329732.cif
78969	2013-04-03	cif/ Adding structures of 4329732 via cif-deposit CGI script.	4329732.cif