Crystallography Open Database

Information card for entry 1553697

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Coordinates	1553697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 N10 O8 Zn2
Calculated formula	C42 H28 N10 O8 Zn2
Title of publication	Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture
Authors of publication	Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	1
Pages of publication	129
a	28.1049 ± 0.001 Å
b	28.1049 ± 0.001 Å
c	28.1049 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	22199.7 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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