Crystallography Open Database

Information card for entry 4513530

Preview

Coordinates	4513530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 Cd4 N8 O20.5
Calculated formula	C46 H34 Cd4 N8 O20.5
Title of publication	Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives
Authors of publication	Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4676
a	11.3022 ± 0.0005 Å
b	20.8207 ± 0.0005 Å
c	12.242 ± 0.0006 Å
α	90°
β	116.513 ± 0.005°
γ	90°
Cell volume	2577.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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