Crystallography Open Database

Information card for entry 7220331

7220330 << 7220331 >> 7220332

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Coordinates	7220331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 Cl2 Cu N3 O6
Calculated formula	C36 H21 Cl2 Cu N3 O6
Title of publication	Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis
Authors of publication	Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	23
Pages of publication	4281
a	26.648 ± 0.003 Å
b	14.3871 ± 0.0011 Å
c	15.1191 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5796.5 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.2665
Residual factor for significantly intense reflections	0.2272
Weighted residual factors for significantly intense reflections	0.5573
Weighted residual factors for all reflections included in the refinement	0.5743
Goodness-of-fit parameter for all reflections included in the refinement	2.242
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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