Crystallography Open Database

Information card for entry 7239856

Preview

Coordinates	7239856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Fe N14 O0 Se2
Calculated formula	C44 H36 Fe N14 Se2
Title of publication	Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior
Authors of publication	Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	9
Pages of publication	5040 - 5049
a	18.847 ± 0.004 Å
b	14.005 ± 0.003 Å
c	19.343 ± 0.004 Å
α	90°
β	98.17 ± 0.03°
γ	90°
Cell volume	5053.8 ± 1.9 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1401
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.3629
Weighted residual factors for all reflections included in the refinement	0.3839
Goodness-of-fit parameter for all reflections included in the refinement	1.368
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258095 (current)	2020-10-06	cif/ Updating files of 7239855, 7239856, 7239857 Original log message: Adding full bibliography for 7239855--7239857.cif.	7239856.cif
247434	2020-02-01	cif/ Adding structures of 7239855, 7239856, 7239857 via cif-deposit CGI script.	7239856.cif