Crystallography Open Database

Information card for entry 7241816

Preview

Coordinates	7241816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H51 N3 O18 Zr3
Calculated formula	C43 H51 N3 O18 Zr3
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	29.68 ± 0.006 Å
b	30.61 ± 0.006 Å
c	13.46 ± 0.003 Å
α	90°
β	98.91 ± 0.03°
γ	90°
Cell volume	12081 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.2152
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7241816.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.	7241816.cif