Crystallography Open Database

Information card for entry 1548784

Preview

Coordinates	1548784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.1 H24.5 Fe3 N2.1 O15.7
Calculated formula	C39.1 H24.5 Fe3 N2.1 O15.7
Title of publication	A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst
Authors of publication	Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	5
Pages of publication	1267
a	12.6797 ± 0.0003 Å
b	13.5123 ± 0.0004 Å
c	23.948 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4103.1 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
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	0.1408
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.243
Weighted residual factors for all reflections included in the refinement	0.2701
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227964 (current)	2019-11-17	cif/ Updating files of 1548784 Original log message: Adding full bibliography for 1548784.cif.	1548784.cif
205681	2018-01-26	cif/ Adding structures of 1548784 via cif-deposit CGI script.	1548784.cif