Crystallography Open Database

Information card for entry 4301264

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Coordinates	4301264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H17 Br Cl N2 O7 Pr
Calculated formula	C7 H17 Br Cl N2 O7 Pr
Title of publication	A Strategy for Synthesis of Ionic Metal-Organic Frameworks
Authors of publication	Lijun Han; Suojiang Zhang; Yibo Wang; Xingjuan Yan; Xingmei Lu
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	786 - 788
a	8.7533 ± 0.0018 Å
b	17.854 ± 0.004 Å
c	8.618 ± 0.0017 Å
α	90°
β	96.09 ± 0.03°
γ	90°
Cell volume	1339.2 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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