Crystallography Open Database

Information card for entry 4339613

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Coordinates	4339613.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-13
Formula	C48 H30 O16 Zn4
Calculated formula	C48 H24 O16 Zn4
Title of publication	Ultramicroporous metal-organic framework based on 9,10-anthracenedicarboxylate for selective gas adsorption.
Authors of publication	Ma, Shengqian; Wang, Xi-Sen; Collier, Christopher D.; Manis, Erika S.; Zhou, Hong-Cai
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8499 - 8501
a	28.79 ± 0.01 Å
b	28.79 ± 0.01 Å
c	28.79 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	23863 ± 14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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