Crystallography Open Database

Information card for entry 7220332

7220331 << 7220332 >> 7220333

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Coordinates	7220332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 Br2 Cu N3 O6
Calculated formula	C36 H21 Br2 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	26.8621 ± 0.0018 Å
b	14.5732 ± 0.0008 Å
c	15.1408 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5927.1 ± 0.6 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	0.2463
Residual factor for significantly intense reflections	0.2047
Weighted residual factors for significantly intense reflections	0.5611
Weighted residual factors for all reflections included in the refinement	0.577
Goodness-of-fit parameter for all reflections included in the refinement	2.353
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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