Crystallography Open Database

Information card for entry 4501724

Preview

Coordinates	4501724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Cl2 N5 O8
Calculated formula	C23 H21 Cl2 N5 O8
Title of publication	Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications
Authors of publication	Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	2854
a	10.6693 ± 0.0003 Å
b	10.6693 ± 0.0003 Å
c	38.8144 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	3826.44 ± 0.18 Å³
Cell temperature	200.1 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4501724.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501724.cif
36059	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501724, 4501725, 4501726, 4501727 via cif-deposit CGI script.	4501724.cif