Crystallography Open Database

Information card for entry 8102959

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Coordinates	8102959.cif

Structure parameters

Formula	B Ca H3 Ni O10 P2
Calculated formula	B Ca H3 Ni O10 P2
Title of publication	Crystal structure of calcium nickel(II) (monohydrogen-monophosphate- dihydrogenmonoborate-monophosphate), CaNi[BP~2~O~7~(OH)~3~]
Authors of publication	Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	4
Pages of publication	429 - 430
a	10.2515 ± 0.0009 Å
b	8.3364 ± 0.0005 Å
c	9.1752 ± 0.0013 Å
α	90°
β	116.34 ± 0.04°
γ	90°
Cell volume	702.7 ± 0.3 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102959.cif
108008	2014-03-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102959.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102959.cif
13698	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102959 via cif-deposit CGI script.	8102959.cif