Crystallography Open Database

Information card for entry 4311691

Preview

Coordinates	4311691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7.5 H19 Ga3 N O16.5 P4
Calculated formula	C7.5 Ga3 N O16.5 P4
Title of publication	Synthesis and Characterization of the First Organically Templated Metal Oxalatophosphonate: (C3H12N2)0.5[Ga3(C2O4)(CH3PO3)4].0.5H2O
Authors of publication	Chia-Hui Lin; Kwang-Hwa Lii
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6403 - 6407
a	8.8514 ± 0.0004 Å
b	16.303 ± 0.0007 Å
c	15.0816 ± 0.0007 Å
α	90°
β	97.539 ± 0.001°
γ	90°
Cell volume	2157.53 ± 0.17 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311691.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311691.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311691.cif
3190	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311691 via cif-deposit CGI script.	4311691.cif