Crystallography Open Database

Information card for entry 4308955

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Coordinates	4308955.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zinc clodronate
Formula	C H11 Cl2 Na O11 P2 Zn
Calculated formula	C H11 Cl2 Na O11 P2 Zn
Title of publication	Structures of Bisphosphonate Metal Complexes: Zinc and Cadmium Complexes of Clodronate and Its Partial Ester Derivatives
Authors of publication	Mervi Kontturi; Elina Laurila; Riikka Mattsson; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2400 - 2406
a	7.8054 ± 0.0001 Å
b	14.1138 ± 0.0002 Å
c	11.2885 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1243.58 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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