Crystallography Open Database

Information card for entry 1568502

Preview

Coordinates	1568502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H43 N7
Calculated formula	C49 H43 N7
SMILES	n1c(cc(c2ccc(N(c3ccc(c4cc(nc(c4)c4ncccc4)c4ncccc4)cc3)CCCCCCC)cc2)cc1c1ncccc1)c1ncccc1
Title of publication	Flexibility-driven 1D-structural preference in a bis-terpyridine-Fe(ii)-metallo-supramolecular polymer possessing potential tricolor electrochromism
Authors of publication	Tripathi, Shivani; Halder, Sayan; Prusti, Banchhanidhi; Chakraborty, Chanchal; Chakravarty, Manab
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	1359 - 1368
a	14.5275 ± 0.0002 Å
b	8.9371 ± 0.0001 Å
c	31.1191 ± 0.0005 Å
α	90°
β	102.802 ± 0.002°
γ	90°
Cell volume	3939.87 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.0558
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282346 (current)	2023-04-04	cif/ Updating files of 1568502 Original log message: Adding full bibliography for 1568502.cif.	1568502.cif
281094	2023-02-22	cif/ Adding structures of 1568502 via cif-deposit CGI script.	1568502.cif