Crystallography Open Database

Information card for entry 7056731

Preview

Coordinates	7056731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 Cd3 N8 O15
Calculated formula	C58 H58 Cd3 N8 O15
Title of publication	Highly Effective Brønsted Base/Lewis Acid Cooperative Catalysis: A new Cd metal-organic framework for synthesis of Hantzsch 1, 4-DHPs at ambient temperature
Authors of publication	Rouhani, Farzaneh; Morsali, Ali
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	15475 - 15484
a	32.476 ± 0.008 Å
b	11.761 ± 0.002 Å
c	16.74 ± 0.003 Å
α	90°
β	112.62 ± 0.03°
γ	90°
Cell volume	5902 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.166
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056731.cif
202884	2017-11-07	cif/ Adding structures of 7056731 via cif-deposit CGI script.	7056731.cif