Crystallography Open Database

Information card for entry 4123527

Preview

Coordinates	4123527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 N O10 Zn2
Calculated formula	C21.04 H6 N1.04 O10 Zn2
Title of publication	Two-photon responsive metal-organic framework.
Authors of publication	Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	12
Pages of publication	4026 - 4029
a	19.1593 ± 0.0012 Å
b	19.1593 ± 0.0012 Å
c	37.391 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	11886.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
179037 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35.	4123527.cif
134802	2015-04-04	cif/ Updating files of 4123527, 4123528 Original log message: Adding full bibliography for 4123527--4123528.cif.	4123527.cif
134295	2015-03-24	cif/ Adding structures of 4123527 via cif-deposit CGI script.	4123527.cif