Crystallography Open Database

Information card for entry 4324468

Preview

Coordinates	4324468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120.79 H121.37 Cl5.02 N6.79 O36.16 Ru6
Calculated formula	C120.79 H116.37 Cl5.02 N6.79 O36.14 Ru6
Title of publication	Coordination-Driven Self-Assembly of M3L2 trigonal Cages from Preorganized Metalloligands Incorporating Octahedral Metal Centers and Fluorescent Detection of Nitroaromatics
Authors of publication	Ming Wang; Vaishali Vajpayee; Sankarasekaran Shanmugaraju; Yao-Rong Zheng; Zhigang Zhao; Hyunuk Kim; Partha Sarathi Mukherjee; Ki-Whan Chi; Peter J. Stang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1506 - 1512
a	13.181 ± 0.003 Å
b	23.307 ± 0.005 Å
c	25.698 ± 0.005 Å
α	107.76 ± 0.03°
β	102.02 ± 0.03°
γ	98.37 ± 0.03°
Cell volume	7166 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2681
Weighted residual factors for all reflections included in the refinement	0.2847
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.9 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324468.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324468.cif
41176	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324468 via cif-deposit CGI script.	4324468.cif