Crystallography Open Database

Information card for entry 7224558

Preview

Coordinates	7224558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 N6 O12 Zn
Calculated formula	C40 H22 N6 O12 Zn
Title of publication	Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties
Authors of publication	Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	3358
a	11.5833 ± 0.0005 Å
b	11.7884 ± 0.0005 Å
c	13.8783 ± 0.0006 Å
α	96.027 ± 0.008°
β	92.924 ± 0.006°
γ	107.066 ± 0.009°
Cell volume	1794.92 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1775
Residual factor for significantly intense reflections	0.1124
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.3151
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
185297 (current)	2016-08-07	cif/ Updating files of 7224556, 7224557, 7224558, 7224559, 7224560, 7224561, 7224562, 7224563, 7224564, 7224565 Original log message: Adding full bibliography for 7224556--7224565.cif.	7224558.cif
178065	2016-03-10	cif/ Adding structures of 7224556, 7224557, 7224558, 7224559, 7224560, 7224561, 7224562, 7224563, 7224564, 7224565 via cif-deposit CGI script.	7224558.cif