Crystallography Open Database

Information card for entry 7241803

Preview

Coordinates	7241803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cd2 Cl2 N2 O15
Calculated formula	C38 H50 Cd2 Cl2 N2 O15
Title of publication	Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores
Authors of publication	Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	569 - 590
a	9.469 ± 0.0019 Å
b	10.395 ± 0.002 Å
c	10.692 ± 0.002 Å
α	98.87 ± 0.03°
β	96.95 ± 0.03°
γ	96.11 ± 0.03°
Cell volume	1023.8 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261636 (current)	2021-02-05	cif/ Updating files of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 Original log message: Adding full bibliography for 7241796--7241816.cif.	7241803.cif
259856	2020-12-13	cif/ Adding structures of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 via cif-deposit CGI script.	7241803.cif