Crystallography Open Database

Information card for entry 7202024

7202023 << 7202024 >> 7202025

Preview

Coordinates	7202024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H17 Cl2 Mg N O9 P2
Calculated formula	C6 H17 Cl2 Mg N O9 P2
Title of publication	A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters
Authors of publication	Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	8
Pages of publication	1011
a	26.2714 ± 0.0006 Å
b	7.4956 ± 0.0001 Å
c	17.4303 ± 0.0004 Å
α	90°
β	116.97 ± 0.001°
γ	90°
Cell volume	3059.08 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0296
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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