Crystallography Open Database

Information card for entry 4502465

Preview

Coordinates	4502465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 F12 N18 O2 P2 Zn
Calculated formula	C54 H51.8 F12 N18 O2 P2 Zn
Title of publication	Lotus-Root-like One-Dimensional Polymetallocages with Drastic Void Adaptability Constructed from 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl and Zn(II) or Co(II) and Their Fluorescein Encapsulation Properties
Authors of publication	Ni, Tianjun; Shao, Min; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	943
a	9.9085 ± 0.001 Å
b	9.9085 ± 0.001 Å
c	33.643 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2860.5 ± 0.7 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179555 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/24.	4502465.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502465.cif
36431	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502465, 4502466 via cif-deposit CGI script.	4502465.cif