Crystallography Open Database

Information card for entry 7112000

7111999 << 7112000 >> 7112001

Preview

Coordinates	7112000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 Fe2 N6 O12
Calculated formula	C34 H32 Fe2 N6 O12
Title of publication	A porous coordination polymer with a reactive diiron paddlewheel unit
Authors of publication	Kanokwan Kongpatpanich; Satoshi Horike; Masayuki Sugimoto; Shinji Kitao; Makoto Seto; Susumu Kitagawa
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2292
a	15.0927 ± 0.0007 Å
b	15.0927 ± 0.0007 Å
c	19.2519 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4385.4 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112000.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112000.cif
103332	2014-02-28	cif/ Adding structures of 7112000 via cif-deposit CGI script.	7112000.cif