Crystallography Open Database

Information card for entry 7014999

Preview

Coordinates	7014999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 H35 Mn3 N6 O43 P9
Calculated formula	B6 H3 Mn3 N6 O43 P9
Title of publication	(NH4)6[Mn3B6P9O36(OH)3]·4H2O: A new open-framework manganese borophosphate synthesized by using boric acid flux method
Authors of publication	Yang, Weiting; Li, Jiyang; Na, Tianyi; Xu, Jin; Wang, Lei; Yu, Jihong; Xu, Ruren
Journal of publication	Dalton Transactions
Year of publication	2011
Journal volume	40
Journal issue	11
Pages of publication	2549
a	23.756 ± 0.004 Å
b	14.302 ± 0.002 Å
c	12.3243 ± 0.0019 Å
α	90°
β	92.207 ± 0.002°
γ	90°
Cell volume	4184.2 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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