Crystallography Open Database

Information card for entry 7220756

7220755 << 7220756 >> 7220757

Preview

Coordinates	7220756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H35 N O5 Zn
Calculated formula	C55 H35 N O5 Zn
Title of publication	Metal organic frameworks from extended, conjugated pentiptycene-based ligands
Authors of publication	Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	26
Pages of publication	4912
a	11.5165 ± 0.0009 Å
b	33.108 ± 0.003 Å
c	15.349 ± 0.0014 Å
α	90°
β	103.074 ± 0.006°
γ	90°
Cell volume	5700.7 ± 0.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for all reflections	0.1986
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	0.9929
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220756.cif
143385	2015-07-10	cif/ Updating files of 7220756, 7220757, 7220758 Original log message: Adding full bibliography for 7220756--7220758.cif.	7220756.cif
139119	2015-06-12	cif/ Adding structures of 7220756, 7220757, 7220758 via cif-deposit CGI script.	7220756.cif