Crystallography Open Database

Information card for entry 4337947

Preview

Coordinates	4337947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Ag3 Fe N8 O2
Calculated formula	C21 H12 Ag3 Fe N7
Title of publication	Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.
Authors of publication	Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	8
Pages of publication	4039 - 4046
a	12.0015 ± 0.0005 Å
b	17.0849 ± 0.0008 Å
c	31.3706 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	6432.4 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179482 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/79.	4337947.cif
112716	2014-05-04	cif/ Updating files of 4337946, 4337947, 4337948, 4337949 Original log message: Adding full bibliography for 4337946--4337949.cif.	4337947.cif
108501	2014-04-02	cif/ Adding structures of 4337946, 4337947, 4337948, 4337949 via cif-deposit CGI script.	4337947.cif