Crystallography Open Database

Information card for entry 7239302

Preview

Coordinates	7239302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Ca O12 P2
Calculated formula	C16 H20 Ca O12 P2
Title of publication	Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions
Authors of publication	Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	45
Pages of publication	23119
a	5.3149 ± 0.0011 Å
b	5.7684 ± 0.0012 Å
c	16.702 ± 0.003 Å
α	92.08 ± 0.01°
β	90.42 ± 0.01°
γ	93.12 ± 0.02°
Cell volume	510.94 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
244643 (current)	2019-11-28	cif/ Adding structures of 7239300, 7239301, 7239302, 7239303, 7239304, 7239305 via cif-deposit CGI script.	7239302.cif