Crystallography Open Database

Information card for entry 4329246

Preview

Coordinates	4329246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H80 N4
Calculated formula	C60 H80 N4
SMILES	c1(cc(Nc2c(cccc2C(C)C)C(C)C)c(cc1Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C.c1ccccc1
Title of publication	Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand
Authors of publication	Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5889 - 5896
a	23.025 ± 0.004 Å
b	15.09 ± 0.002 Å
c	15.758 ± 0.002 Å
α	90°
β	93.277 ± 0.002°
γ	90°
Cell volume	5466.1 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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