Crystallography Open Database

Information card for entry 7202589

7202588 << 7202589 >> 7202590

Preview

Coordinates	7202589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H19 Cl2 Mg N O8 P2
Calculated formula	C7 H19 Cl2 Mg N O8 P2
Title of publication	Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester
Authors of publication	Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	2
Pages of publication	158
a	28.3302 ± 0.0003 Å
b	7.5044 ± 0.0001 Å
c	17.4238 ± 0.0003 Å
α	90°
β	120.66 ± 0.0005°
γ	90°
Cell volume	3186.48 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180356 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/25.	7202589.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202589.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202589.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202589.cif