Crystallography Open Database

Information card for entry 4504788

Preview

Coordinates	4504788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H16 Mg N O12 P3
Calculated formula	C3 H16 Mg N O12 P3
Title of publication	Alkaline Earth Metal Organotriphosphonates: Inorganic−Organic Polymeric Hybrids from Dication−Dianion Association
Authors of publication	Demadis, Konstantinos D.; Katarachia, Stella D.; Raptis, Raphael G.; Zhao, Hong; Baran, Peter
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	4
Pages of publication	836
a	9.2172 ± 0.0007 Å
b	16.0864 ± 0.0012 Å
c	9.7392 ± 0.0007 Å
α	90°
β	115.688 ± 0.001°
γ	90°
Cell volume	1301.33 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179582 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/47.	4504788.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504788.cif
47532	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504788 via cif-deposit CGI script.	4504788.cif