Crystallography Open Database

Information card for entry 4513691

Preview

Coordinates	4513691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H77 Cd3 N10 O15
Calculated formula	C80 H77 Cd3 N10 O15
Title of publication	A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives
Authors of publication	Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	12
Pages of publication	5901
a	13.4617 ± 0.0003 Å
b	19.9956 ± 0.0003 Å
c	17.2734 ± 0.0003 Å
α	90°
β	110.777 ± 0.002°
γ	90°
Cell volume	4347.19 ± 0.15 Å³
Cell temperature	99.99 ± 0.18 K
Ambient diffraction temperature	99.99 ± 0.18 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	0.0493
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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