Crystallography Open Database

Information card for entry 8103306

Preview

Coordinates	8103306.cif

Structure parameters

Formula	B H6 K Mn O11 P2
Calculated formula	B H6 K Mn O11 P2
Title of publication	Crystal structure of potassium diaquamanganese(II) borophosphate monohydrate, K[Mn(H2O)2(BP2O8)] · H2O
Authors of publication	Ming-Zhen Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	3
a	9.683 ± 0.004 Å
b	9.683 ± 0.004 Å
c	16.139 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	1310.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103306.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103306.cif
52271	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103306 via cif-deposit CGI script.	8103306.cif