Crystallography Open Database

Information card for entry 4506767

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Coordinates	4506767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Cd2 N8 O13
Calculated formula	C40 H46 Cd2 N8 O13
Title of publication	Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands
Authors of publication	Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4911
a	9.2708 ± 0.0009 Å
b	16.9735 ± 0.0017 Å
c	15.3137 ± 0.0015 Å
α	90°
β	103.345 ± 0.002°
γ	90°
Cell volume	2344.7 ± 0.4 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	0.0646
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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