Crystallography Open Database

Information card for entry 2006601

2006600 << 2006601 >> 2006602

Preview

Coordinates	2006601.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis-4,4'pyridiniumdiazomethane diperchlorate
Formula	C12 H12 Cl2 N4 O8
Calculated formula	C12 H12 Cl2 N4 O8
SMILES	c1cc(cc[nH+]1)/C=N/N=C/c1cc[nH+]cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^}
Authors of publication	Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	10
Pages of publication	1499 - 1501
a	5.2894 ± 0.0005 Å
b	8.6106 ± 0.0008 Å
c	9.1884 ± 0.0009 Å
α	101.801 ± 0.007°
β	97.055 ± 0.009°
γ	96.293 ± 0.008°
Cell volume	402.61 ± 0.07 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for all reflections	0.1099
Weighted residual factors for significantly intense reflections	0.1024
Goodness-of-fit parameter for all reflections	1.019
Goodness-of-fit parameter for significantly intense reflections	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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