Crystallography Open Database

Information card for entry 7219931

7219930 << 7219931 >> 7219932

Preview

Coordinates	7219931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 N4 O2 Sn
Calculated formula	C64 H54 N4 O2 Sn
SMILES	Cc1cc(O[Sn]234(n5c6=C(c7ccc(cc7)C)c7[n]3c(=C(c3ccc(cc3)C)c3n4c(C(=c4[n]2c(C(=c5cc6)c2ccc(cc2)C)cc4)c2ccc(cc2)C)cc3)cc7)Oc2c(ccc(C)c2)C)c(cc1)C
Title of publication	Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates
Authors of publication	Wang, Shuang; Forsyth, Craig; Langford, Steven J.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	3060
a	37.419 ± 0.005 Å
b	37.419 ± 0.005 Å
c	10.7471 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	13032 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1501
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219931.cif
138523	2015-06-07	cif/ Updating files of 7219931, 7219932, 7219933 Original log message: Adding full bibliography for 7219931--7219933.cif.	7219931.cif
134101	2015-03-19	cif/ Adding structures of 7219931, 7219932, 7219933 via cif-deposit CGI script.	7219931.cif