Crystallography Open Database

Information card for entry 4519124

4519123 << 4519124 >> 4519125

Preview

Coordinates	4519124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 Br N O4
Calculated formula	C19 H22 Br N O4
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	10.0953 ± 0.0005 Å
b	7.4452 ± 0.0003 Å
c	24.3942 ± 0.0011 Å
α	90°
β	98.071 ± 0.002°
γ	90°
Cell volume	1815.34 ± 0.14 Å³
Cell temperature	166 ± 2 K
Ambient diffraction temperature	166.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
271008 (current)	2021-12-03	cif/ Adding structures of 4519124 via cif-deposit CGI script.	4519124.cif