Crystallography Open Database

Information card for entry 7220332

7220331 << 7220332 >> 7220333

Preview

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

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220332.cif
138549	2015-06-07	cif/ Updating files of 7220331, 7220332, 7220333, 7220334 Original log message: Adding full bibliography for 7220331--7220334.cif.	7220332.cif
135834	2015-05-09	cif/ Adding structures of 7220331, 7220332, 7220333, 7220334 via cif-deposit CGI script.	7220332.cif