Crystallography Open Database

Information card for entry 7107442

Preview

Coordinates	7107442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Ca N O9 P2
Calculated formula	C3 H9 Ca N O9 P2
Title of publication	Coercing bisphosphonates to kill cancer cells with nanoscale coordination polymers
Authors of publication	Wenbin Lin; Demin Liu; Stephanie A. Kramer; Rachel C. Huxford-Phillips; Shunzhi Wang; Joseph Della Rocca
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2668
a	13.7486 ± 0.0003 Å
b	10.6087 ± 0.0002 Å
c	6.923 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1009.75 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180178 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/74.	7107442.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7107442.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7107442.cif
34308	2012-02-16	../uploads/cif-deposit/cod/cif Adding structures of 7107442, 7107443 via cif-deposit CGI script.	7107442.cif