Crystallography Open Database

Information card for entry 4000368

Preview

Coordinates	4000368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H78 Mo2 N4 O8 Si2
Calculated formula	C32 H78 Mo2 N4 O8 Si2
SMILES	CN([Mo]([Mo](N(C)C)(N(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(N(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)C
Journal of publication	Chemistry of Materials
Year of publication	2004
a	9.5645 ± 0.0002 Å
b	16.1754 ± 0.0002 Å
c	29.7612 ± 0.0007 Å
α	90°
β	90.421 ± 0.001°
γ	90°
Cell volume	4604.2 ± 0.2 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	151 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for all reflections	0.0877
Weighted residual factors for significantly intense reflections	0.0818
Goodness-of-fit parameter for all reflections	0.958
Goodness-of-fit parameter for significantly intense reflections	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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