Crystallography Open Database

Information card for entry 7111470

Preview

Coordinates	7111470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C207 H109 Cl19 N4 O7 Sn
Calculated formula	C207 H103 Cl19 N4 O7 Sn
Title of publication	Novel fullerene?porphyrin?fullerene triad linked by metal axial coordination: Synthesis, X-ray crystal structure, and spectroscopic characterizations of trans-bis([60]fullerenoacetato)tin(iv) porphyrin
Authors of publication	Kim, Hyun Jung; Park, Ki-Min; Ahn, Tae Kyu; Kim, Seong Keun; Kim, Kil Suk; Kim, Dongho; Kim, Hee-Joon
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	22
Pages of publication	2594 - 2595
a	40.6082 ± 0.0017 Å
b	13.5086 ± 0.0006 Å
c	29.0086 ± 0.0012 Å
α	90°
β	106.771 ± 0.001°
γ	90°
Cell volume	15236.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1906
Residual factor for significantly intense reflections	0.1052
Weighted residual factors for significantly intense reflections	0.2785
Weighted residual factors for all reflections included in the refinement	0.3423
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111470.cif
96526	2014-01-29	cif/ Adding structures of 7111470 via cif-deposit CGI script.	7111470.cif