Crystallography Open Database

Information card for entry 4519125

4519124 << 4519125 >> 4519126

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Coordinates	4519125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20 Cu1.5 N3 O6
Calculated formula	C31 H20 Cu1.5 N3 O6
Title of publication	Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.
Authors of publication	Seal, Nilanjan; Neogi, Subhadip
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	46
Pages of publication	55123 - 55135
a	8.1275 ± 0.0009 Å
b	18.887 ± 0.002 Å
c	21.237 ± 0.003 Å
α	90°
β	99.453 ± 0.004°
γ	90°
Cell volume	3215.7 ± 0.7 Å³
Cell temperature	143.15 K
Ambient diffraction temperature	143.15 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	0.1638
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.2007
Weighted residual factors for all reflections included in the refinement	0.3191
Goodness-of-fit parameter for all reflections included in the refinement	0.9352
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271009 (current)	2021-12-03	cif/ Adding structures of 4519125 via cif-deposit CGI script.	4519125.cif