Crystallography Open Database

Information card for entry 7712651

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Coordinates	7712651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H34 N8 O8 Zn3
Calculated formula	C64 H34 N8 O8 Zn3
Title of publication	Porphyrin Metal-Organic Frameworks with Bilayer and Pillar-layered Frameworks for Third-order Nonlinear Optical Properties
Authors of publication	Zhu, Zi-Yi; Wang, Zirui; Li, Qiao-Hong; Ma, Zhi-Zhou; Wang, Fei; Zhang, Jian
Journal of publication	Dalton Transactions
Year of publication	2023
a	23.5128 ± 0.0004 Å
b	23.5272 ± 0.0003 Å
c	18.2894 ± 0.0003 Å
α	90°
β	96.728 ± 0.002°
γ	90°
Cell volume	10047.8 ± 0.3 Å³
Cell temperature	99.99 ± 0.13 K
Ambient diffraction temperature	99.99 ± 0.13 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2274
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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