Crystallography Open Database

Information card for entry 7114051

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Coordinates	7114051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H920 Mo154 N28 O894
Calculated formula	C12 Mo154 N24 O788
Title of publication	Urea as 'deus ex machina' in giant molybdenum blue type cluster synthesis: an unusual hybrid compound with perspectives for related nano, supramolecular and extended structures
Authors of publication	Müller, Achim; Roy, Soumyajit; Schmidtmann, Marc; Bögge, Hartmut
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	18
Pages of publication	2000 - 2002
a	33.447 ± 0.0013 Å
b	53.32 ± 0.002 Å
c	27.0643 ± 0.001 Å
α	90°
β	107.532 ± 0.001°
γ	90°
Cell volume	46024 ± 3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for all reflections	0.1845
Weighted residual factors for significantly intense reflections	0.1412
Goodness-of-fit parameter for all reflections	1.063
Goodness-of-fit parameter for significantly intense reflections	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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