Crystallography Open Database

Information card for entry 7045152

Preview

Coordinates	7045152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H10.25 Fe N11.5 O2.5 Pt
Calculated formula	C22.5 H12.25 Fe N11 O2.5 Pt
Title of publication	Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.
Authors of publication	Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1407 - 1411
a	27.3734 ± 0.0007 Å
b	28.6387 ± 0.0009 Å
c	7.1961 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5641.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229459 (current)	2019-11-17	cif/ Updating files of 7045151, 7045152, 7045153, 7045154 Original log message: Adding full bibliography for 7045151--7045154.cif.	7045152.cif
204509	2017-12-23	cif/ Adding structures of 7045151, 7045152, 7045153, 7045154 via cif-deposit CGI script.	7045152.cif