Crystallography Open Database

Information card for entry 7201045

7201044 << 7201045 >> 7201046

Preview

Coordinates	7201045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 Cd2 N4 O12
Calculated formula	C46 H34 Cd2 N4 O12
Title of publication	Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands
Authors of publication	Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1842
a	13.023 ± 0.001 Å
b	12.739 ± 0.001 Å
c	13.684 ± 0.001 Å
α	90°
β	94.899 ± 0.001°
γ	90°
Cell volume	2261.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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