Crystallography Open Database

Information card for entry 7113664

Preview

Coordinates	7113664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H170 Cl6 N10 S4 Zn2
Calculated formula	C132 H170 Cl6 N10 S4 Zn2
Title of publication	Dynamic combinatorial libraries of metalloporphyrins: templated amplification of disulfide-linked oligomers
Authors of publication	Kieran, Amy L.; Bond, Andrew D.; Belenguer, Ana M.; Sanders, Jeremy K. M.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2674 - 2675
a	13.6594 ± 0.0003 Å
b	21.1379 ± 0.0005 Å
c	21.4513 ± 0.0007 Å
α	90°
β	96.534 ± 0.001°
γ	90°
Cell volume	6153.4 ± 0.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
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	0.1192
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104884
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113664.html