Crystallography Open Database

Information card for entry 1513887

Preview

Coordinates	1513887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cd N8 Ni
Calculated formula	C14 H12 Cd N8 Ni
Title of publication	Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine
Authors of publication	Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Journal volume	414
Pages of publication	15 - 20
a	16.611 ± 0.004 Å
b	7.4997 ± 0.0011 Å
c	6.6052 ± 0.0016 Å
α	90°
β	96.612 ± 0.019°
γ	90°
Cell volume	817.4 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	0.851
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
192782 (current)	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items.	1513887.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513887.cif
107612	2014-03-20	cif/ Adding structures of 1513887 via cif-deposit CGI script.	1513887.cif