Crystallography Open Database

Information card for entry 7210492

Preview

Coordinates	7210492.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BioMIL-2ht
Formula	C5 H6 Ca O4
Calculated formula	C5 H6 Ca O4
Title of publication	Small chemical causes drastic structural effects: the case of calcium glutarate
Authors of publication	Miller, Stuart R.; Horcajada, Patricia; Serre, Christian
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1894
a	20.659 ± 0.008 Å
b	20.659 ± 0.008 Å
c	8.637 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3192.4 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.202
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	0.891
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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