Crystallography Open Database

Information card for entry 1549198

Preview

Coordinates	1549198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 N18 O15 Zn3
Calculated formula	C54 H38 N18 O15 Zn3
Title of publication	A luminescent zinc(ii) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor.
Authors of publication	Zhang, Ya-Qian; Blatov, Vladislav A.; Zheng, Tian-Rui; Yang, Chang-Hao; Qian, Lin-Lu; Li, Ke; Li, Bao-Long; Wu, Bing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	17
Pages of publication	6189 - 6198
a	16.1735 ± 0.0012 Å
b	12.0443 ± 0.001 Å
c	31.096 ± 0.002 Å
α	90°
β	100.881 ± 0.002°
γ	90°
Cell volume	5948.5 ± 0.8 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
229550 (current)	2019-11-17	cif/ Updating files of 1549198 Original log message: Adding full bibliography for 1549198.cif.	1549198.cif
207231	2018-04-05	cif/ Adding structures of 1549198 via cif-deposit CGI script.	1549198.cif