Crystallography Open Database

Information card for entry 7701999

7701998 << 7701999 >> 7702000

Preview

Coordinates	7701999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.419 H1.86 Br0.186 N0.186 O0.186
Calculated formula	C2.4186 H1.86047 Br0.186047 N0.186047 O0.186047
Title of publication	An unsymmetrical covalent organic polymer for catalytic amide synthesis.
Authors of publication	Yadav, Deepika; Awasthi, Satish Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	1
Pages of publication	179 - 186
a	8.1837 ± 0.0008 Å
b	9.2427 ± 0.001 Å
c	30.229 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2286.5 ± 0.4 Å³
Cell temperature	237 ± 80 K
Ambient diffraction temperature	237 ± 80 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	0.8854
Diffraction radiation probe	x-ray
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
247696 (current)	2020-02-04	cif/ Updating files of 7701999 Original log message: Adding full bibliography for 7701999.cif.	7701999.cif
232129	2019-11-23	cif/ Adding structures of 7701999 via cif-deposit CGI script.	7701999.cif