Crystallography Open Database

Information card for entry 7209521

7209520 << 7209521 >> 7209522

Preview

Coordinates	7209521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H65 Br3 N8
Calculated formula	C158 H65 Br3 N8
Title of publication	Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes
Authors of publication	Shimizu, Soji; Miura, Akito; Kobayashi, Nagao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3759
a	15.893 ± 0.002 Å
b	26.122 ± 0.004 Å
c	25.301 ± 0.003 Å
α	90°
β	94.641 ± 0.002°
γ	90°
Cell volume	10469 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180426 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95.	7209521.cif
86011	2013-05-09	cif/ Adding structures of 7209521, 7209522 via cif-deposit CGI script.	7209521.cif