Crystallography Open Database

Information card for entry 7128609

Preview

Coordinates	7128609.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZnCdCP_LTphase
Formula	C24 H16 Cd0.08 N2 O4 Zn0.92
Calculated formula	C24 H16 Cd0.08 N2 O4 Zn0.92
Title of publication	Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.
Authors of publication	van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	62
Pages of publication	7693 - 7696
a	7.6038 ± 0.0004 Å
b	26.5229 ± 0.0015 Å
c	16.1227 ± 0.001 Å
α	90°
β	99.049 ± 0.002°
γ	90°
Cell volume	3211.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0498
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268554 (current)	2021-09-06	cif/ Updating files of 7128604, 7128605, 7128606, 7128607, 7128608, 7128609, 7128610, 7128611, 7128612, 7128613, 7128614, 7128615, 7128616, 7128617 Original log message: Adding full bibliography for 7128604--7128617.cif.	7128609.cif
267347	2021-07-08	cif/ Adding structures of 7128604, 7128605, 7128606, 7128607, 7128608, 7128609, 7128610, 7128611, 7128612, 7128613, 7128614, 7128615, 7128616, 7128617 via cif-deposit CGI script.	7128609.cif