Crystallography Open Database

Information card for entry 4103908

Preview

Coordinates	4103908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H35 Cl3 Fe N3
Calculated formula	C53 H36 Cl3 Fe N3
SMILES	[Fe]12345678([c]9(c%10ccc(n%11c%12c(cc(n%13c%14c(cccc%14)c%14c%13cccc%14)cc%12)c%12c%11ccc(n%11c%13ccccc%13c%13c%11cccc%13)c%12)cc%10)[cH]1[cH]3[cH]4[cH]29)[cH]1[cH]6[cH]5[cH]8[cH]71.ClC(Cl)Cl
Title of publication	Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers
Authors of publication	Ken Albrecht; Kimihisa Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2244 - 2251
a	10.8911 ± 0.0007 Å
b	34.7331 ± 0.0018 Å
c	11.3866 ± 0.0007 Å
α	90°
β	108.577 ± 0.0015°
γ	90°
Cell volume	4082.9 ± 0.4 Å³
Cell temperature	103.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103908.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103908.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103908.cif
28385	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103908 via cif-deposit CGI script.	4103908.cif