Crystallography Open Database

Information card for entry 8102042

8102041 << 8102042 >> 8102043

Preview

Coordinates	8102042.cif

Structure parameters

Chemical name	4,4'-dibromo-2,2'-[(1,3-propylidene)dioxybis(nitrilomethylidyne)]diphenol
Formula	C17 H16 Br2 N2 O4
Calculated formula	C17 H16 Br2 N2 O4
Title of publication	Crystal structure of 4,4'-dibromo-2,2'-((1,3-propylene)-dioxybis (nitrilomethylidyne))diphenol, C~16~H~16~Br~2~N~2~O~4~
Authors of publication	Dong, W.-K.; Feng, J.-H.; Yang, X.-Q.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	4
Pages of publication	447 - 448
a	6.2054 ± 0.0008 Å
b	28.788 ± 0.004 Å
c	5.0063 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	894.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102042.cif
108008	2014-03-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102042.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102042.cif
12781	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102042 via cif-deposit CGI script.	8102042.cif