Crystallography Open Database

Information card for entry 7230688

Preview

Coordinates	7230688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H26 Cd2 N6 O11
Calculated formula	C41 H26 Cd2 N6 O11
Title of publication	Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction
Authors of publication	Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	24
Pages of publication	3313
a	16.0536 ± 0.0002 Å
b	17.8754 ± 0.0002 Å
c	15.6953 ± 0.0001 Å
α	90°
β	102.731 ± 0.001°
γ	90°
Cell volume	4393.27 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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