Crystallography Open Database

Information card for entry 2021275

2021274 << 2021275 >> 2021276

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Structure parameters

Formula	C36 H68 Fe Mo12 N6 O70 P8
Calculated formula	C36 H68 Fe Mo12 N6 O70 P8
Title of publication	Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)
Authors of publication	Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	11
a	11.8121 ± 0.0009 Å
b	22.6484 ± 0.0016 Å
c	16.0089 ± 0.0012 Å
α	90°
β	98.701 ± 0.001°
γ	90°
Cell volume	4233.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.021
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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