Crystallography Open Database

Information card for entry 7046331

Preview

Coordinates	7046331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H140 Mo36 N12 O181 P8
Calculated formula	C66 H90 Mo36 N12 O181 P8
Title of publication	Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates.
Authors of publication	Wang, Jin; Shi, Wenjie; Li, Shujie; Mao, Qiyun; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	24
Pages of publication	7949 - 7955
a	20.9083 ± 0.0014 Å
b	24.6633 ± 0.0016 Å
c	30.156 ± 0.002 Å
α	76.691 ± 0.001°
β	89.389 ± 0.001°
γ	71.441 ± 0.001°
Cell volume	14312.8 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1557
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2423
Weighted residual factors for all reflections included in the refinement	0.3095
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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