Crystallography Open Database

Information card for entry 4311335

Preview

Coordinates	4311335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N2 O2
Calculated formula	C25 H20 N2 O2
SMILES	C1(=CC(=C(c2cc(ccc2)C#N)\O)\C(=C1)C(=O)c1cc(ccc1)C#N)C(C)(C)C
Title of publication	Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands
Authors of publication	Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4727 - 4739
a	9.7027 ± 0.0009 Å
b	12.8883 ± 0.0012 Å
c	16.8118 ± 0.0016 Å
α	74.2 ± 0.002°
β	89.116 ± 0.002°
γ	84.894 ± 0.002°
Cell volume	2014.8 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179152 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13.	4311335.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311335.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311335.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4311335.cif
2830	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311335 via cif-deposit CGI script.	4311335.cif