Crystallography Open Database

Information card for entry 7204088

7204087 << 7204088 >> 7204089

Preview

Coordinates	7204088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N4 O2
Calculated formula	C10 H8 N4 O2
SMILES	C1(=CC(C(=CC1=NC#N)OC)=NC#N)OC
Title of publication	Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)
Authors of publication	Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2152
a	4.716 ± 0.002 Å
b	16.583 ± 0.002 Å
c	6.709 ± 0.002 Å
α	90°
β	104.84 ± 0.02°
γ	90°
Cell volume	507.2 ± 0.3 Å³
Cell temperature	223.7 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204088.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204088.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204088.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204088.cif