Crystallography Open Database

Information card for entry 4511885

Preview

Coordinates	4511885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Ca N O9 P2
Calculated formula	C4 H11 Ca N O9 P2
Title of publication	Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate
Authors of publication	Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	5234
a	7.12 ± 0.0004 Å
b	7.2986 ± 0.0005 Å
c	10.5043 ± 0.0006 Å
α	78.615 ± 0.005°
β	80.272 ± 0.005°
γ	88.585 ± 0.005°
Cell volume	527.41 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511885.cif
124638	2014-10-06	cif/ Updating files of 4511884, 4511885, 4511886, 4511887 Original log message: Adding full bibliography for 4511884--4511887.cif.	4511885.cif
122530	2014-08-27	cif/ Adding structures of 4511885 via cif-deposit CGI script.	4511885.cif