Crystallography Open Database

Information card for entry 4319951

4319950 << 4319951 >> 4319952

Preview

Coordinates	4319951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Mn3 N2 O12 P4
Calculated formula	C3 H4 Mn3 N2 O12 P4
Title of publication	Hydrothermal Synthesis and Structural Characterization of the (CnH2n+6N2)[Mn3(HPO3)4] (n= 3-8) New Layered Inorganic-Organic Hybrid Manganese(II) Phosphites. Crystal Structure and Spectroscopic and Magnetic Properties of (C3H12N2)[Mn3(HPO3)4]
Authors of publication	Sergio Fernández; José L. Pizarro; José L. Mesa; Luis Lezama; María I. Arriortua; Roger Olazcuaga; Teófilo Rojo
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3476 - 3483
a	9.5015 ± 0.001 Å
b	5.472 ± 0.001 Å
c	14.523 ± 0.004 Å
α	90 ± 0.03°
β	95.01 ± 0.03°
γ	90 ± 0.02°
Cell volume	752.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319951.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319951.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319951.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319951.cif
16756	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319951 via cif-deposit CGI script.	4319951.cif