Crystallography Open Database

Information card for entry 7231247

Preview

Coordinates	7231247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl4 Cu2 N6 O7.5
Calculated formula	C36 H39 Cl4 Cu2 N6 O7.5
Title of publication	Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding
Authors of publication	Kwon, Hyunchul; Lee, Eunsung
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	35
Pages of publication	5233
a	9.081 ± 0.005 Å
b	10.926 ± 0.006 Å
c	12.055 ± 0.007 Å
α	113.957 ± 0.018°
β	111.576 ± 0.017°
γ	91.514 ± 0.016°
Cell volume	994.5 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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