Crystallography Open Database

Information card for entry 7008457

Preview

Coordinates	7008457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 Cd N12 O2
Calculated formula	C48 H34 Cd N12 O2
Title of publication	Strong enhancement of second-harmonic generation (SHG) response through multi-chiral centers and metal-coordination.
Authors of publication	Ye, Qiong; Tang, Yu-Zhi; Wang, Xi-Sen; Xiong, Ren-Gen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	9
Pages of publication	1570 - 1573
a	12.144 ± 0.002 Å
b	40.776 ± 0.007 Å
c	8.353 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4136.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179788 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/84.	7008457.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008457.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008457.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008457.cif