Crystallography Open Database

Information card for entry 7052088

7052087 << 7052088 >> 7052089

Preview

Structure parameters

Formula	C12 H10 N4 O2
Calculated formula	C12 H10 N4 O2
SMILES	O=C(Nc1ccncc1)C(=O)Nc1ccncc1
Title of publication	Anion-recognition studies of a Re(i)-based square containing the dipyridyl-amide ligand
Authors of publication	Tzeng, Biing-Chiau; Chen, Yen-Fei; Wu, Chia-Chin; Hu, Cho-Chun; Chang, Ya-Ting; Chen, Chang-Kai
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	2
Pages of publication	202
a	8.3729 ± 0.0006 Å
b	14.6999 ± 0.001 Å
c	9.1764 ± 0.0006 Å
α	90°
β	98.917 ± 0.002°
γ	90°
Cell volume	1115.79 ± 0.13 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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 all reflections	0.0618
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052088.html