Crystallography Open Database

Information card for entry 7220334

7220333 << 7220334 >> 7220335

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Coordinates	7220334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 Br2 Hg N3 O6
Calculated formula	C36 H21 Br2 Hg 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	26.8929 ± 0.0009 Å
b	14.6597 ± 0.0004 Å
c	15.0879 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5948.3 ± 0.3 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	0.1675
Residual factor for significantly intense reflections	0.1384
Weighted residual factors for significantly intense reflections	0.4497
Weighted residual factors for all reflections included in the refinement	0.4686
Goodness-of-fit parameter for all reflections included in the refinement	1.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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