Crystallography Open Database

Information card for entry 4337949

Preview

Coordinates	4337949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Ag2 Fe N8
Calculated formula	C36 H24 Ag2 Fe N8
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	8.838 ± 0.002 Å
b	16.38 ± 0.005 Å
c	12.421 ± 0.004 Å
α	90°
β	108.642 ± 0.004°
γ	90°
Cell volume	1703.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0411
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4337949.cif
112716	2014-05-04	cif/ Updating files of 4337946, 4337947, 4337948, 4337949 Original log message: Adding full bibliography for 4337946--4337949.cif.	4337949.cif
108501	2014-04-02	cif/ Adding structures of 4337946, 4337947, 4337948, 4337949 via cif-deposit CGI script.	4337949.cif