Crystallography Open Database

Information card for entry 7204654

7204653 << 7204654 >> 7204655

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Coordinates	7204654.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	methylammonium zinc phosphate
Formula	C H6 N O12 P3 Zn4
Calculated formula	C H6 N O12 P3 Zn4
Title of publication	Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/
Authors of publication	Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley
Journal of publication	Journal of Materials Chemistry
Year of publication	2003
Journal volume	13
Journal issue	8
Pages of publication	1936
a	14.6797 ± 0.0006 Å
b	10.1204 ± 0.0004 Å
c	16.6015 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2466.39 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180377 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46.	7204654.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204654.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204654.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7204654.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204654.cif